[5-[dimethyl-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]silyl]-2-(hydroxymethyl)pentyl] 2-methylprop-2-enoate

C35H52O3Si — CID 153277148

IUPAC[5-[dimethyl-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]silyl]-2-(hydroxymethyl)pentyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(CO)CCC[Si](C)(C)c1ccc(-c2ccc(C3CCC(CCCCC)CC3)cc2)cc1
InChIInChI=1S/C35H52O3Si/c1-6-7-8-10-28-12-14-30(15-13-28)31-16-18-32(19-17-31)33-20-22-34(23-21-33)39(4,5)24-9-11-29(25-36)26-38-35(37)27(2)3/h16-23,28-30,36H,2,6-15,24-26H2,1,3-5H3
InChIKeyFLBMRNGKSOMPFX-UHFFFAOYSA-N
MW548.88 g/mol
LogP8.63
Rot. Bonds15

About [5-[dimethyl-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]silyl]-2-(hydroxymethyl)pentyl] 2-methylprop-2-enoate

[5-[dimethyl-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]silyl]-2-(hydroxymethyl)pentyl] 2-methylprop-2-enoate (PubChem CID 153277148) has the molecular formula C35H52O3Si and a molecular weight of 548.88 g/mol. Its IUPAC name is [5-[dimethyl-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]silyl]-2-(hydroxymethyl)pentyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[5-[dimethyl-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]silyl]-2-(hydroxymethyl)pentyl] 2-methylprop-2-enoate
PubChem CID153277148
Molecular FormulaC35H52O3Si
Molecular Weight548.88 g/mol
Exact Mass548.37
IUPAC Name[5-[dimethyl-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]silyl]-2-(hydroxymethyl)pentyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(CO)CCC[Si](C)(C)c1ccc(-c2ccc(C3CCC(CCCCC)CC3)cc2)cc1
InChIInChI=1S/C35H52O3Si/c1-6-7-8-10-28-12-14-30(15-13-28)31-16-18-32(19-17-31)33-20-22-34(23-21-33)39(4,5)24-9-11-29(25-36)26-38-35(37)27(2)3/h16-23,28-30,36H,2,6-15,24-26H2,1,3-5H3
InChIKeyFLBMRNGKSOMPFX-UHFFFAOYSA-N
XLogP8.63
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.88
LogP ≤ 58.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[2-[[5-hydroxy-4-(hydroxymethyl)pentyl]-dimethylsilyl]-3-(2-methylprop-2-enoyloxymethyl)-5-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]phenyl]methyl 2-methylprop-2-enoate
CID 153276925
[5-[4-[4-[4-[butyl(dimethyl)silyl]phenyl]cyclohexyl]cyclohexyl]oxy-2-(hydroxymethyl)pentyl] 2-methylprop-2-enoate
CID 153276935
[5-[dimethyl-[4-(4-pentylphenyl)phenyl]silyl]-2-(hydroxymethyl)pentyl] 2-methylprop-2-enoate
CID 153277106
[5-[4-[4-[4-[butyl(dimethyl)silyl]cyclohexyl]phenyl]phenoxy]-2-(hydroxymethyl)pentyl] 2-methylprop-2-enoate
CID 153277164
[3-hydroxy-2-[4-(4-pentylcyclohexyl)phenyl]propyl] 2-methylprop-2-enoate
CID 134244724
[2-(2-methylprop-2-enoyloxymethyl)-3-[4-(4-pentylcyclohexyl)phenoxy]propyl] 2-(hydroxymethyl)prop-2-enoate
CID 138529515
[4-[4-(3-ethyl-4-pentylphenyl)cyclohexyl]-2-(hydroxymethyl)butyl] 2-methylprop-2-enoate
CID 145411758
[2-(hydroxymethyl)-4-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]butyl] 2-methylidenebutanoate
CID 146659711
[3-(2-methylprop-2-enoyloxy)-2-[4-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]phenyl]propyl] 3-hydroxy-2-methylidenebutanoate
CID 148984226
[2-(hydroxymethyl)-3-[6-[2-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]propyl] 2-methylprop-2-enoate
CID 139525265
[3-(2-methylprop-2-enoyloxy)-2-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]propyl] 3-hydroxy-3-methyl-2-methylidenebutanoate
CID 148705700
[3,5-bis(2-methylprop-2-enoyloxymethyl)-6-[4-(4-pentylcyclohexyl)phenyl]hexyl] 2-(hydroxymethyl)prop-2-enoate
CID 134246733

Frequently Asked Questions

What is the IUPAC name of [5-[dimethyl-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]silyl]-2-(hydroxymethyl)pentyl] 2-methylprop-2-enoate?
The IUPAC name of [5-[dimethyl-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]silyl]-2-(hydroxymethyl)pentyl] 2-methylprop-2-enoate (CID 153277148) is [5-[dimethyl-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]silyl]-2-(hydroxymethyl)pentyl] 2-methylprop-2-enoate.
What is the SMILES notation for [5-[dimethyl-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]silyl]-2-(hydroxymethyl)pentyl] 2-methylprop-2-enoate?
The canonical SMILES for [5-[dimethyl-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]silyl]-2-(hydroxymethyl)pentyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCC(CO)CCC[Si](C)(C)c1ccc(-c2ccc(C3CCC(CCCCC)CC3)cc2)cc1.
What is the InChIKey of [5-[dimethyl-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]silyl]-2-(hydroxymethyl)pentyl] 2-methylprop-2-enoate?
The InChIKey is FLBMRNGKSOMPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H52O3Si/c1-6-7-8-10-28-12-14-30(15-13-28)31-16-18-32(19-17-31)33-20-22-34(23-21-33)39(4,5)24-9-11-29(25-36)26-38-35(37)27(2)3/h16-23,28-30,36H,2,6-15,24-26H2,1,3-5H3.
What are the key properties of [5-[dimethyl-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]silyl]-2-(hydroxymethyl)pentyl] 2-methylprop-2-enoate?
[5-[dimethyl-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]silyl]-2-(hydroxymethyl)pentyl] 2-methylprop-2-enoate has a molecular weight of 548.88 g/mol, XLogP of 8.63, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[dimethyl-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]silyl]-2-(hydroxymethyl)pentyl] 2-methylprop-2-enoate is sourced from PubChem (CID 153277148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).